2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H25N3O2+2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O2/c1-16-5-4-6-17(13-16)14-22-9-11-23(12-10-22)15-24-20(25)18-7-2-3-8-19(18)21(24)26/h2-8,13H,9-12,14-15H2,1H3/p+2